6-[(2,7-difluoro-9-oxo-10H-acridine-4-carbonyl)amino]hexanoic acid

C20H18F2N2O4 — CID 120522577

IUPAC6-[(2,7-difluoro-9-oxo-10H-acridine-4-carbonyl)amino]hexanoic acid
SMILESO=C(O)CCCCCNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12
InChIInChI=1S/C20H18F2N2O4/c21-11-5-6-16-13(8-11)19(27)14-9-12(22)10-15(18(14)24-16)20(28)23-7-3-1-2-4-17(25)26/h5-6,8-10H,1-4,7H2,(H,23,28)(H,24,27)(H,25,26)
InChIKeyVEDNHXZOUNGONU-UHFFFAOYSA-N
MW388.37 g/mol
LogP3.33
Rot. Bonds7

About 6-[(2,7-difluoro-9-oxo-10H-acridine-4-carbonyl)amino]hexanoic acid

6-[(2,7-difluoro-9-oxo-10H-acridine-4-carbonyl)amino]hexanoic acid (PubChem CID 120522577) has the molecular formula C20H18F2N2O4 and a molecular weight of 388.37 g/mol. Its IUPAC name is 6-[(2,7-difluoro-9-oxo-10H-acridine-4-carbonyl)amino]hexanoic acid.

Molecular Properties

Compound Name6-[(2,7-difluoro-9-oxo-10H-acridine-4-carbonyl)amino]hexanoic acid
PubChem CID120522577
Molecular FormulaC20H18F2N2O4
Molecular Weight388.37 g/mol
Exact Mass388.12
IUPAC Name6-[(2,7-difluoro-9-oxo-10H-acridine-4-carbonyl)amino]hexanoic acid
SMILESO=C(O)CCCCCNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12
InChIInChI=1S/C20H18F2N2O4/c21-11-5-6-16-13(8-11)19(27)14-9-12(22)10-15(18(14)24-16)20(28)23-7-3-1-2-4-17(25)26/h5-6,8-10H,1-4,7H2,(H,23,28)(H,24,27)(H,25,26)
InChIKeyVEDNHXZOUNGONU-UHFFFAOYSA-N
XLogP3.33
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.37
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 6-[(2,7-difluoro-9-oxo-10H-acridine-4-carbonyl)amino]hexanoic acid with MolForge

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Related Compounds

7-[(5-fluoro-2-methylbenzoyl)amino]heptanoic acid
CID 62034426
8-[(2-amino-5-fluorobenzoyl)amino]octanoic acid
CID 54514696
6-[(2-chloro-4-fluorobenzoyl)amino]hexanoic acid
CID 16782062
8-[[5-fluoro-2-(methanesulfonamido)benzoyl]amino]octanoic acid
CID 120535606
7-[(2-cyclopropyl-6-fluoroquinoline-4-carbonyl)amino]heptanoic acid
CID 119350783
4-[(4-fluoro-2-hydroxybenzoyl)amino]butanoic acid
CID 107013327
N-[3-(dimethylamino)propyl]-7-fluoro-9-oxo-10H-acridine-2-carboxamide
CID 86802615
6-[[2-(4-fluorophenyl)acetyl]amino]hexanoic acid
CID 16793042
8-[(2-fluorobenzoyl)amino]octanoic acid;molecular hydrogen
CID 157344175
7-[(2,3,4-trifluorobenzoyl)amino]heptanoic acid
CID 79757091
5-[(6-nitro-2-oxo-1H-quinoline-4-carbonyl)amino]pentanoic acid
CID 119235210
6-(naphthalene-1-carbonylamino)hexanoic acid
CID 14196780

Frequently Asked Questions

What is the IUPAC name of 6-[(2,7-difluoro-9-oxo-10H-acridine-4-carbonyl)amino]hexanoic acid?
The IUPAC name of 6-[(2,7-difluoro-9-oxo-10H-acridine-4-carbonyl)amino]hexanoic acid (CID 120522577) is 6-[(2,7-difluoro-9-oxo-10H-acridine-4-carbonyl)amino]hexanoic acid.
What is the SMILES notation for 6-[(2,7-difluoro-9-oxo-10H-acridine-4-carbonyl)amino]hexanoic acid?
The canonical SMILES for 6-[(2,7-difluoro-9-oxo-10H-acridine-4-carbonyl)amino]hexanoic acid is O=C(O)CCCCCNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12.
What is the InChIKey of 6-[(2,7-difluoro-9-oxo-10H-acridine-4-carbonyl)amino]hexanoic acid?
The InChIKey is VEDNHXZOUNGONU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N2O4/c21-11-5-6-16-13(8-11)19(27)14-9-12(22)10-15(18(14)24-16)20(28)23-7-3-1-2-4-17(25)26/h5-6,8-10H,1-4,7H2,(H,23,28)(H,24,27)(H,25,26).
What are the key properties of 6-[(2,7-difluoro-9-oxo-10H-acridine-4-carbonyl)amino]hexanoic acid?
6-[(2,7-difluoro-9-oxo-10H-acridine-4-carbonyl)amino]hexanoic acid has a molecular weight of 388.37 g/mol, XLogP of 3.33, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,7-difluoro-9-oxo-10H-acridine-4-carbonyl)amino]hexanoic acid is sourced from PubChem (CID 120522577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).